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MMsINC code: MMs00999162

Type: Neutral
Formula: C₁₉H₁₉ClN₄O₂

SMILES:

Clc1ccc(cc1)-c1nc(on1)CN(CC)C(=O)Nc1ccccc1C

InChI:

InChI=1/C19H19ClN4O2/c1-3-24(19(25)21-16-7-5-4-6-13(16)2)12-17-22-18(23-26-17)14-8-10-15(20)11-9-14/h4-11H,3,12H2,1-2H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4451 kcal/mol

Physical Properties
Molecular Weight: 370.84 g/mol	logS: -6.11092	SlogP: 5.01882	Reactive groups: 0

Topological Properties
Globularity: 0.117009	Sterimol/B1: 2.1583	Sterimol/B2: 4.01801	Sterimol/B3: 4.59846
Sterimol/B4: 9.44017	Sterimol/L: 16.0872

Surface and Volume Properties
Accessible surface: 638.05	Positive charged surface: 341.721	Negative charged surface: 296.329	Volume: 340.875
Hydrophobic surface: 546.66	Hydrophilic surface: 91.39

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.